Fig. 2: Crystal structures of TMPRSS2 ectodomain in complex with inhibitors.
From: Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry
a Cartoon model of TMPRSS2 ectodomain in complex with camostat, different domains of TMPRSS2 are indicated and colored differently. b Zoom-in view of calcium-binding region located in LDLRA domain. c Substrate binding pocket of TMPRSS2, the surface of TMPRSS2 is colored white, residues that participates in forming S1-S4 subsites are shown as blue sticks. The inhibitor is shown as green ball-and-stick model. d A likely inhibition mechanism for camostat and nafamostat. e Skeletal structure of UK-371804. f–h Zoom-in view of the catalytic pocket of TMPRSS2 with camostat, nafamostat, or UK-371804 bound inside, compounds are shown as ball-and-stick models, residues forms hydrogen-bond or ionic bond with the compounds are shown as sticks, hydrogen-bonds and ionic bonds are shown as black dashes.
